4-phenylmethoxypyridine-2,6-diamine

C12H13N3O — CID 12069799

IUPAC4-phenylmethoxypyridine-2,6-diamine
SMILESNc1cc(OCc2ccccc2)cc(N)n1
InChIInChI=1S/C12H13N3O/c13-11-6-10(7-12(14)15-11)16-8-9-4-2-1-3-5-9/h1-7H,8H2,(H4,13,14,15)
InChIKeyLFJVIIDKPZZGFF-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.83
Rot. Bonds3

About 4-phenylmethoxypyridine-2,6-diamine

4-phenylmethoxypyridine-2,6-diamine (PubChem CID 12069799) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 4-phenylmethoxypyridine-2,6-diamine.

Molecular Properties

Compound Name4-phenylmethoxypyridine-2,6-diamine
PubChem CID12069799
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name4-phenylmethoxypyridine-2,6-diamine
SMILESNc1cc(OCc2ccccc2)cc(N)n1
InChIInChI=1S/C12H13N3O/c13-11-6-10(7-12(14)15-11)16-8-9-4-2-1-3-5-9/h1-7H,8H2,(H4,13,14,15)
InChIKeyLFJVIIDKPZZGFF-UHFFFAOYSA-N
XLogP1.83
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-phenylmethoxypyridine-2,6-diamine?
The IUPAC name of 4-phenylmethoxypyridine-2,6-diamine (CID 12069799) is 4-phenylmethoxypyridine-2,6-diamine.
What is the SMILES notation for 4-phenylmethoxypyridine-2,6-diamine?
The canonical SMILES for 4-phenylmethoxypyridine-2,6-diamine is Nc1cc(OCc2ccccc2)cc(N)n1.
What is the InChIKey of 4-phenylmethoxypyridine-2,6-diamine?
The InChIKey is LFJVIIDKPZZGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c13-11-6-10(7-12(14)15-11)16-8-9-4-2-1-3-5-9/h1-7H,8H2,(H4,13,14,15).
What are the key properties of 4-phenylmethoxypyridine-2,6-diamine?
4-phenylmethoxypyridine-2,6-diamine has a molecular weight of 215.26 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylmethoxypyridine-2,6-diamine is sourced from PubChem (CID 12069799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).